Geometry & MOs

Info

ID:	335918
PubChem CID:	127254780
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	2.51
IP(EA), eV:	-8.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations